SCHEMBL4524522

SCHEMBL4524522

Nc1nc(OCCF)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
APP P05067 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.38
DHFR P00374 2/20 0.38
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAP4K4 O95819 3/20 0.35
SCN9A Q15858 1/20 0.34
MGMT P16455 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
RAB9A P51151 1/20 0.34
NOS1 P29475 1/20 0.34
DHPS P49366 1/20 0.34
CYP1B1 Q16678 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4108718 0.89 CDK1 (0.39) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL4113486 0.88 TLR8 (0.42) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL3613491 0.88 SQOR (0.45) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL3612806 0.86 MPO (0.36) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL4122428 0.86 MPO (0.39) MAPTMPODHFRADORA2AKDM4E
SCHEMBL3608749 0.85 NCF1 (0.38) MAPTMPODHFRADORA2AKDM4E
SCHEMBL3613567 0.85 MAOA (0.38) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL3601199 0.85 MPO (0.36) MAPTMEN1GAAKMT2AL3MBTL1
SCHEMBL4529689 0.85 MPO (0.55) MAPTMEN1KMT2AMPODHFR
SCHEMBL3607063 0.84 SCN9A (0.39) MPODHFRADORA2AMAP4K4SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MAPT 2859/4885APP 4145/4885MEN1 4755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.